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2059911-71-4 | (2S,5R)-2-(iodomethyl)-5-(2-methoxyphenyl)oxane
CAS No: 2059911-71-4 Catalog No: AG01BRBS MDL No:MFCD30502418
Product Description
Catalog Number:
AG01BRBS
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(2-methoxyphenyl)oxane
CAS Number:
2059911-71-4
Molecular Formula:
C13H17IO2
Molecular Weight:
332.1773
MDL Number:
MFCD30502418
IUPAC Name:
2-(iodomethyl)-5-(2-methoxyphenyl)oxane
InChI:
InChI=1S/C13H17IO2/c1-15-13-5-3-2-4-12(13)10-6-7-11(8-14)16-9-10/h2-5,10-11H,6-9H2,1H3
InChI Key:
FOCYLUWGSQSJHT-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1ccccc1OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.181g/mol
Monoisotopic Mass:
332.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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